CID 14316435

(5-bromopentyl)boronic acid

Structural Information

Molecular Formula

C₅H₁₂BBrO₂

SMILES

B(CCCCCBr)(O)O

InChI

InChI=1S/C5H12BBrO2/c7-5-3-1-2-4-6(8)9/h8-9H,1-5H2

InChIKey

RCBNHBWNONFWHR-UHFFFAOYSA-N

Compound name

5-bromopentylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 194.01137 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.01865	136.5
[M+Na]+	217.00059	146.0
[M-H]-	193.00409	136.7
[M+NH4]+	212.04519	158.1
[M+K]+	232.97453	135.3
[M+H-H2O]+	177.00863	137.1
[M+HCOO]-	239.00957	154.3
[M+CH3COO]-	253.02522	177.0
[M+Na-2H]-	214.98604	142.2
[M]+	194.01082	154.3
[M]-	194.01192	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe